N-[(2S)-3-[(2R)-2,3-dihydroxypropoxy]-2-propan-2-yloxypropyl]-N-methylmethanesulfonamide

C11H25NO6S — CID 118241650

IUPACN-[(2S)-3-[(2R)-2,3-dihydroxypropoxy]-2-propan-2-yloxypropyl]-N-methylmethanesulfonamide
SMILESCC(C)O[C@H](COC[C@H](O)CO)CN(C)S(C)(=O)=O
InChIInChI=1S/C11H25NO6S/c1-9(2)18-11(5-12(3)19(4,15)16)8-17-7-10(14)6-13/h9-11,13-14H,5-8H2,1-4H3/t10-,11+/m1/s1
InChIKeyBPLHBSLOEQRIDU-MNOVXSKESA-N
MW299.39 g/mol
LogP-0.96
Rot. Bonds10

About N-[(2S)-3-[(2R)-2,3-dihydroxypropoxy]-2-propan-2-yloxypropyl]-N-methylmethanesulfonamide

N-[(2S)-3-[(2R)-2,3-dihydroxypropoxy]-2-propan-2-yloxypropyl]-N-methylmethanesulfonamide (PubChem CID 118241650) has the molecular formula C11H25NO6S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-[(2S)-3-[(2R)-2,3-dihydroxypropoxy]-2-propan-2-yloxypropyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-3-[(2R)-2,3-dihydroxypropoxy]-2-propan-2-yloxypropyl]-N-methylmethanesulfonamide
PubChem CID118241650
Molecular FormulaC11H25NO6S
Molecular Weight299.39 g/mol
Exact Mass299.14
IUPAC NameN-[(2S)-3-[(2R)-2,3-dihydroxypropoxy]-2-propan-2-yloxypropyl]-N-methylmethanesulfonamide
SMILESCC(C)O[C@H](COC[C@H](O)CO)CN(C)S(C)(=O)=O
InChIInChI=1S/C11H25NO6S/c1-9(2)18-11(5-12(3)19(4,15)16)8-17-7-10(14)6-13/h9-11,13-14H,5-8H2,1-4H3/t10-,11+/m1/s1
InChIKeyBPLHBSLOEQRIDU-MNOVXSKESA-N
XLogP-0.96
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-[(2R)-2,3-dihydroxypropoxy]-2-propan-2-yloxypropyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(2S)-3-[(2R)-2,3-dihydroxypropoxy]-2-propan-2-yloxypropyl]-N-methylmethanesulfonamide (CID 118241650) is N-[(2S)-3-[(2R)-2,3-dihydroxypropoxy]-2-propan-2-yloxypropyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(2S)-3-[(2R)-2,3-dihydroxypropoxy]-2-propan-2-yloxypropyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(2S)-3-[(2R)-2,3-dihydroxypropoxy]-2-propan-2-yloxypropyl]-N-methylmethanesulfonamide is CC(C)O[C@H](COC[C@H](O)CO)CN(C)S(C)(=O)=O.
What is the InChIKey of N-[(2S)-3-[(2R)-2,3-dihydroxypropoxy]-2-propan-2-yloxypropyl]-N-methylmethanesulfonamide?
The InChIKey is BPLHBSLOEQRIDU-MNOVXSKESA-N. The full InChI is InChI=1S/C11H25NO6S/c1-9(2)18-11(5-12(3)19(4,15)16)8-17-7-10(14)6-13/h9-11,13-14H,5-8H2,1-4H3/t10-,11+/m1/s1.
What are the key properties of N-[(2S)-3-[(2R)-2,3-dihydroxypropoxy]-2-propan-2-yloxypropyl]-N-methylmethanesulfonamide?
N-[(2S)-3-[(2R)-2,3-dihydroxypropoxy]-2-propan-2-yloxypropyl]-N-methylmethanesulfonamide has a molecular weight of 299.39 g/mol, XLogP of -0.96, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-[(2R)-2,3-dihydroxypropoxy]-2-propan-2-yloxypropyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 118241650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).